Related papers: Predicting phase transition pressure in solids: a …
We analyse a one-dimensional model of hard particles, within ensembles of trajectories that are conditioned (or biased) to atypical values of the time-averaged dynamical activity. We analyse two phenomena that are associated with these…
We consider a quantum system of non-interacting fermions at temperature T, in the framework of linear response theory. We show that semiclassical theory is an appropriate framework to describe some of their thermodynamic properties, in…
Aiming to establish a rigorous link between macroscopic random motion (described e.g. by Langevin-type theories) and microscopic dynamics, we have undertaken a kinetic-theoretical study of the dynamics of a classical test-particle weakly…
The electronic and lattice dynamical properties of compressed solid SiH$_{4}$ have been calculated in the pressure range up to 300 GPa with density functional theory. We find that structures having a layered network with eight-fold…
Recently we proposed a new constant-pressure molecular dynamics method for finite systems. In this paper, we discuss the current understanding of this method and its technique details. We also review the recent theoretical advances of…
The properties of materials near structural phase transitions are often successfully described in the framework of Landau theory. While the focus is usually on phase transitions, which are induced by temperature changes approaching a…
We review the main properties of a supersolid. We describe first the macroscopic equation that satisfies a supersolid based on general arguments and symmetries and show that such solids might exhibit simultaneously or independently both…
We introduce four, a priori different, notions of topological pressure for possibly discontinuous semiflows acting on compact metric spaces and observe that they all agree with the classical one when restricted to the continuous setting.…
In a previous contribution, Phys. Rev. Lett 107, 230601 (2011), we have proposed a method to treat first order phase transitions at low temperatures. It describes arbitrary order parameter through an analytical expression $W$, which depends…
The physicochemical behavior of elements and compounds is heavily altered by high pressure. The occurrence of pressure-induced reactions and phase transitions can be revealed by crystal structure prediction approaches. In this work, we…
The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we…
We study the dynamics of a quantum particle in R^(n+m) constrained by a strong potential force to stay within a distance of order hbar (in suitable units) from a smooth n-dimensional submanifold M. We prove that in the semiclassical limit…
Starting from the existing semiclassical studies on hydrogenoid atoms, we propose a similar intuitive exercise for the three-body quark systems corresponding to protons and neutrons. In the frame of this toy model we try to explain both the…
By means of synchrotron X-ray diffraction, we studied the effect of high pressure, P, up to 13 GPa on the room temperature crystal structure of superconducting CaC6. In this P range, no change of the pristine space group symmetry,…
In the first paper of this series (Paper I) we computed time dependent simulations of multifluid shocks with chemistry and a transverse magnetic field frozen in the ions, using an adaptive moving grid. In this paper, we present new…
A semiclassical linear response theory based on the Vlasov equation is reviewed. The approach discussed here differs from the classical one of Vlasov and Landau for the fact that the finite size of the system is explicitly taken into…
Quasicrystals and their periodic approximants are complex phases, which have by now been observed in many metallic alloys, soft matter systems, and particle simulations. In recent experiments of thin-film perovskites on solid substrates,…
High-pressure polyhydrides are leading contenders for room temperature superconductivity. The next frontier lies in stabilizing them at ambient pressure, which would allow their practical applications. In this first-principles computational…
Many properties of solids such as the glass state are commonly treated as nonequilibrium phenomena, which involve many conceptual difficulties. However, few studies have addressed the problem of understanding equilibrium itself. Equilibrium…
This article provides an accessible illustration of the measurement approach to the study of the quantum-classical transition suitable for beginning graduate students. As an example, we apply it to a quantum system with a general quadratic…